%chk=000272024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272024

0 1
O 2.230874 -1.688388 0.282900
O 0.525964 2.273882 -1.572886
O -1.700179 -0.053601 1.732312
O 3.621920 -0.847749 1.820415
O -3.046754 1.656466 1.705584
C -0.912527 -1.066385 -0.412987
C -0.880679 0.363809 -1.016218
C 1.735378 0.260977 -1.057143
C 0.462435 1.091052 -0.768025
C 1.609001 -1.280539 -0.987645
C 0.227460 -1.909889 -1.013085
C -0.748987 -0.953682 1.115528
C -1.984661 1.190389 -0.406043
C 2.787895 0.574202 -0.017670
C -2.233902 -1.740414 -0.749548
C 2.984958 -0.644049 0.825943
C -2.290090 0.985200 1.043050
C -2.680322 2.103585 -1.088223
C 3.434121 1.722609 0.156302
C -2.556800 -2.975300 -0.373735
H -1.037809 0.281423 -2.120860
H 2.106270 0.547994 -2.072961
H 0.493861 1.523340 0.264517
H 2.260037 -1.753752 -1.761294
H -0.032169 -2.177598 -2.059249
H 0.286701 -2.885300 -0.473152
H -0.959061 -1.905628 1.641482
H 0.253166 -0.591625 1.410380
H -2.930144 -1.130934 -1.329070
H 0.368438 2.083520 -2.517702
H -2.520156 2.326474 -2.134228
H -3.460643 2.707193 -0.627131
H 3.258391 2.598577 -0.461764
H 4.176315 1.870633 0.936357
H -3.506925 -3.433369 -0.618039
H -1.919776 -3.624423 0.211088


%chk=000272024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272024

0 1
O 2.192609 -1.461311 0.613902
O 0.559903 2.415651 -1.074024
O -1.930868 -0.116715 1.765711
O 3.878809 -0.405897 1.841316
O -3.314388 1.683747 1.647139
C -0.956049 -1.100143 -0.370291
C -0.873173 0.366499 -0.909708
C 1.721873 0.241505 -1.037074
C 0.479368 1.049327 -0.541928
C 1.631497 -1.286493 -0.774800
C 0.252018 -1.935114 -0.890664
C -0.930354 -1.047804 1.178463
C -2.047461 1.171420 -0.371845
C 2.951940 0.621912 -0.228588
C -2.259447 -1.747857 -0.865920
C 3.122481 -0.403053 0.857458
C -2.479941 0.964966 1.058944
C -2.724644 2.090417 -1.108200
C 3.763082 1.700466 -0.345560
C -2.646056 -3.020820 -0.612004
H -0.940058 0.339905 -2.019721
H 1.845250 0.435512 -2.118760
H 0.539213 1.206064 0.548782
H 2.335997 -1.815323 -1.445728
H 0.074415 -2.146344 -1.963130
H 0.281126 -2.919140 -0.386801
H -1.189517 -2.030639 1.604780
H 0.058472 -0.752957 1.567855
H -2.911321 -1.110809 -1.481623
H 0.395385 2.387131 -2.052581
H -2.475707 2.284205 -2.157970
H -3.540008 2.666558 -0.658322
H 3.609116 2.459207 -1.118601
H 4.591344 1.839979 0.358912
H -3.587323 -3.415582 -1.008499
H -2.055985 -3.709770 0.006280


